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DocumentationIdentifier: MM334315
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334315 |
| SMILES |
CCC(=CC=C(F)F)CO
|
| InChIKey |
ZRZSYOKLCVQBEM-UHFFFAOYSA-N
|
| MW [Da] |
148.15
Automatically obtained from RDkit software. |
| LogP |
2.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM333829
Similarity: 0.8495
Similarity to MM333829
| Tanimoto metric | 0.8495 |
|---|---|
| Cosine metric | 0.9217 |
| Dice metric | 0.9186 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM342657
Similarity: 0.7315
Similarity to MM342657
| Tanimoto metric | 0.7315 |
|---|---|
| Cosine metric | 0.8449 |
| Dice metric | 0.8449 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146748
Similarity: 0.7204
Similarity to MM146748
| Tanimoto metric | 0.7204 |
|---|---|
| Cosine metric | 0.8488 |
| Dice metric | 0.8375 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+623 more
